Research workbench
BFO2290: tannerella forsythia chondroitin sulfate a sulfatase
Analyse BFO2290: tannerella forsythia chondroitin sulfate a sulfatase in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 8DI0
- Type
- protein
- Length
- 1,331 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Arylsulfatase
- EC
- 3.1.6.-
- UniProt
- G8UJW8
- Ligands
- SO4
- Pockets
- 13 · best druggability 0.58
Structure
x-ray diffraction · 3 distinct chains · 30% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Arylsulfatase (EC 3.1.6.-) | protein | 442 | 30% helix, 20% strand | G8UJW8 |
| B | Arylsulfatase (EC 3.1.6.-) | protein | 426 | 28% helix, 19% strand | G8UJW8 |
| C | Arylsulfatase (EC 3.1.6.-) | protein | 463 | 32% helix, 19% strand | G8UJW8 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 220 | 0.58 | 0.80 | 39 | empty |
| 2 | 322 | 0.57 | 0.76 | 49 | empty |
| 3 | 217 | 0.50 | 0.75 | 29 | empty |
| 4 | 103 | 0.42 | 0.77 | 22 | empty |
| 5 | 95 | 0.41 | 0.77 | 15 | empty |
Interfaces
3 interfaces between chains.
- B–C · 627 Ų buried · 6 hydrogen bonds · protein-protein
- A–B · 624 Ų buried · 6 hydrogen bonds · protein-protein
- A–C · 616 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 8DI0 · Bfo2290: Tannerella forsythia chondroitin sulfate A sulfatase · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt G8UJW8
- Elsewhere: RCSB PDB 8DI0 · PDBe 8DI0 · UniProt G8UJW8
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